(2R,5S)-5-ethyl-2-(methoxymethyl)-2-methyloxane

C10H20O2 — CID 166593111

IUPAC(2R,5S)-5-ethyl-2-(methoxymethyl)-2-methyloxane
SMILESCC[C@H]1CC[C@](C)(COC)OC1
InChIInChI=1S/C10H20O2/c1-4-9-5-6-10(2,8-11-3)12-7-9/h9H,4-8H2,1-3H3/t9-,10+/m0/s1
InChIKeyFCDFJVWIYSTHDE-VHSXEESVSA-N
MW172.27 g/mol
LogP2.23
Rot. Bonds3

About (2R,5S)-5-ethyl-2-(methoxymethyl)-2-methyloxane

(2R,5S)-5-ethyl-2-(methoxymethyl)-2-methyloxane (PubChem CID 166593111) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is (2R,5S)-5-ethyl-2-(methoxymethyl)-2-methyloxane.

Molecular Properties

Compound Name(2R,5S)-5-ethyl-2-(methoxymethyl)-2-methyloxane
PubChem CID166593111
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Name(2R,5S)-5-ethyl-2-(methoxymethyl)-2-methyloxane
SMILESCC[C@H]1CC[C@](C)(COC)OC1
InChIInChI=1S/C10H20O2/c1-4-9-5-6-10(2,8-11-3)12-7-9/h9H,4-8H2,1-3H3/t9-,10+/m0/s1
InChIKeyFCDFJVWIYSTHDE-VHSXEESVSA-N
XLogP2.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-isopropyl-2,6-diethyl-2-methyltetrahydro-2H-pyran
CID 45274957
Octane, 2-(or 6)-ethoxy-2,6-dimethyl-
CID 86129
(4S)-2-(3,3-dimethyloxiran-2-yl)-4-methyloxane
CID 75525024
2,2-Dibutyl-1,4-dioxane
CID 90108833
2,5-Diethyltetrahydro-2H-pyran-2-methanol
CID 3020015
(2S,3S)-2-ethyl-3-fluoro-2,4-dimethyloxane
CID 167250613
4-Methyl-1-oxaspiro[5.5]undecane
CID 3764775
1,7-Dimethoxy-3,7-dimethyloctane
CID 102324053
2,2,3-Trimethyl-6-propyltetra-hydropyran
CID 129788753
2-Ethylenedioxy-5-methylheptane
CID 129811787
4-Methyl-2-(3-methyloxiran-2-yl)oxane
CID 138963035
tetrahydro-2,5-dipropyl-2H-pyran-2-methanol
CID 3020669

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-5-ethyl-2-(methoxymethyl)-2-methyloxane?
The IUPAC name of (2R,5S)-5-ethyl-2-(methoxymethyl)-2-methyloxane (CID 166593111) is (2R,5S)-5-ethyl-2-(methoxymethyl)-2-methyloxane.
What is the SMILES notation for (2R,5S)-5-ethyl-2-(methoxymethyl)-2-methyloxane?
The canonical SMILES for (2R,5S)-5-ethyl-2-(methoxymethyl)-2-methyloxane is CC[C@H]1CC[C@](C)(COC)OC1.
What is the InChIKey of (2R,5S)-5-ethyl-2-(methoxymethyl)-2-methyloxane?
The InChIKey is FCDFJVWIYSTHDE-VHSXEESVSA-N. The full InChI is InChI=1S/C10H20O2/c1-4-9-5-6-10(2,8-11-3)12-7-9/h9H,4-8H2,1-3H3/t9-,10+/m0/s1.
What are the key properties of (2R,5S)-5-ethyl-2-(methoxymethyl)-2-methyloxane?
(2R,5S)-5-ethyl-2-(methoxymethyl)-2-methyloxane has a molecular weight of 172.27 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-5-ethyl-2-(methoxymethyl)-2-methyloxane is sourced from PubChem (CID 166593111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).